Binding information for 1oth_ligand_3_16.mol2(FDBF00228)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1oth_ligand_3_16.mol2 | 1oth | 1 | -6.36 | CCNC(=O)C | 6 |
Structure and binding mode of 1oth_ligand_3_16.mol2(FDBF00228)
Important binding residues for 1oth_ligand_3_16.mol2(FDBF00228)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1oth | ARG141 | -0.50 | -7.94 | -8.44 | 7.86 | -0.58 |
| 1oth | LEU163 | -0.53 | 0.05 | -0.48 | -0.08 | -0.56 |
| 1oth | HIS168 | -0.29 | -3.00 | -3.29 | 1.71 | -1.58 |
| 1oth | ILE200 | -0.36 | 0.13 | -0.23 | -0.15 | -0.38 |
| 1oth | CYS303 | -1.20 | -0.73 | -1.93 | 1.40 | -0.53 |
| 1oth | LEU304 | -0.22 | -3.65 | -3.87 | 2.93 | -0.94 |
| 1oth | PRO305 | -0.56 | -2.45 | -3.01 | 2.47 | -0.54 |
| 1oth | ARG330 | -0.52 | -5.59 | -6.11 | 5.17 | -0.94 |
